CID 206712

28506-03-8

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCC(=O)N(C1CCN(C1)CC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H24N2O2/c1-2-20(24)22(17-9-6-10-19(23)13-17)18-11-12-21(15-18)14-16-7-4-3-5-8-16/h3-10,13,18,23H,2,11-12,14-15H2,1H3
InChIKey
CIBNDPPABYOVEO-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-N-(3-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.7
[M+Na]+ 347.172998 182.2
[M-H]- 323.176504 186.4
[M+NH4]+ 342.217603 192.1
[M+K]+ 363.146938 178.3
[M+H-H2O]+ 307.181040 169.1
[M+HCOO]- 369.181981 198.6
[M+CH3COO]- 383.197631 210.5
[M+Na-2H]- 345.158446 178.1
[M]+ 324.18323142 176.5
[M]- 324.18432858 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.